A1IBU
Summary
| Name: | 2-hydroxy-3-keto-glucal |
| Synonyms: | (2~{R},3~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-2,3-dihydropyran-4-one |
| Formula: | C6 H8 O5 |
| Formal charge: | 0 |
| Formula weight: | 160.125 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-2,3-dihydropyran-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H8O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4,6-8,10H,1H2/t4-,6-/m1/s1 |
| InChIKey | InChI | 1.06 | CLDKGBMTBWSEPC-INEUFUBQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1OC=C(O)C(=O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1OC=C(O)C(=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C(C(=O)[C@@H]([C@H](O1)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(C(=O)C(C(O1)CO)O)O |
